SCHEMBL11216165

SCHEMBL11216165

O=C(F)Oc1cccc2c(C(F)(F)F)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ ESR1 P03372 3/20 0.38
▸ ESR2 Q92731 3/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ FAAH O00519 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11396877 0.86 HSD17B10 (0.41) GAASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL18697298 0.82 PPARG (0.47) GAAALDH1A1MRGPRX4RXRARXRB
SCHEMBL18697312 0.77 TSHR (0.46) GAASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11225475 0.74 HSD17B10 (0.61) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL11239828 0.73 LMNA (0.46) GAASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11222790 0.71 HSD17B1 (0.39) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL18697296 0.70 MRGPRX4 (0.48) KDM4EKMT2ANPSR1MRGPRX4RXRA
SCHEMBL12310598 0.70 AXL (0.47) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12473229 0.70 AXL (0.47) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30116328 0.68 PPARG (0.49) GAAALDH1A1KDM4EMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0023584-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL NAPHTHALENES BAYER AG (DE) 1983-01-26 — — EP disclosed
EP-0023584-A1 Process for the preparation of trifluoromethyl naphthalenes BAYER AG (DE) 1981-02-11 — — EP disclosed
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